Geometry & MOs

Info

ID:	140512
PubChem CID:	52712599
Reduced:	NOSC18H27 (1)
Stoich.:	ABCD18E27 (1)
Weight, g/mol:	428.96302
ΔH_f, kcal/mol:	-42.5
Dipole, Da:	3.72
IP(EA), eV:	-8.93(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(4-amino-3-nitrophenyl)sulfamoyl]-2-bromobenzoate

Drug info:

PubChemData

Smile

CCCCS[C@@H](C)C(=O)N[C@H](C1CC1)C2=CC=C(C=C2)C

DOS

IR

Vibrations